3-Ethyl-2,2,4,4-tetramethylpentane

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  • Identifiers

    CAS number
    3178-30-1

    Molecular formula
    C11H24

    SMILES
    CCC(C(C)(C)C)C(C)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 59.63%
    Camphoreous 38.58%
    Dry 34.61%
    Fatty 31.76%
    Green 27.97%
    Vetiver 27.86%
    Pine 27.0%
    Fresh 25.53%
    Earthy 25.48%
    Amber 25.48%

     

    Flavor
    Pungent 27.31%
    Camphor 23.45%
    Mild 21.88%
    Green 21.27%
    Earthy 19.46%
    Terpenic 19.45%
    Rotten 19.33%
    Catty 19.27%
    Alkane 19.23%
    Blackberry 19.23%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    5.0

    pKa est.
    10.28 (weak base)

    Molecular weight
    156.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    163°C

    Flash point

    • 46.09 ˚C est.

  • Synonyms

    • 3178-30-1
    • DTXSID501297467
    • 3-ethyl-2,2,4,4-tetramethylpentane
    • RefChem:1067728
    • DTXCID001727641
    • 2,2,4,4-tetramethyl-3-ethylpentane
    • SCHEMBL4653087
    • SCHEMBL4655234
    • SCHEMBL17607545
    • SCHEMBL23111415
    • FNWCWFQEEKFGHB-UHFFFAOYSA-N
    • 3-(1,1-dimethylethyl)-2,2-dimethylpentane
    • 3178-30-1

  • Applications

    Chemical name: 3-Ethyl-2,2,4,4-tetramethylpentane; CAS number: 3178-30-1; is a branched aliphatic hydrocarbon commonly used as a nonpolar solvent and diluent in coatings, inks, and cleaning formulations; as a processing solvent in polymer and plastics manufacturing; as a component or additive considered for high-octane gasoline blends; as a cleaning solvent for industrial maintenance and equipment degreasing; as an analytical reference standard for gas chromatography; and as an intermediate in the synthesis of larger branched hydrocarbons.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 727.42
    methanol 594.87
    isopropanol 757.2
    water 0.8
    ethyl acetate 1980.81
    n-propanol 892.88
    acetone 1250.44
    n-butanol 1188.4
    acetonitrile 732.25
    DMF 973.55
    toluene 2101.15
    isobutanol 967.0
    1,4-dioxane 2591.51
    methyl acetate 1419.62
    THF 5360.37
    2-butanone 1641.65
    n-pentanol 788.11
    sec-butanol 1108.9
    n-hexane 3233.56
    ethylene glycol 79.29
    NMP 2578.19
    cyclohexane 4497.05
    DMSO 631.94
    n-butyl acetate 3707.94
    n-octanol 1544.93
    chloroform 2821.18
    n-propyl acetate 1315.03
    acetic acid 608.0
    dichloromethane 2100.73
    cyclohexanone 3574.94
    propylene glycol 164.99
    isopropyl acetate 1806.91
    DMAc 1334.51
    2-ethoxyethanol 484.12
    isopentanol 1257.52
    n-heptane 4605.29
    ethyl formate 779.48
    1,2-dichloroethane 1693.02
    n-hexanol 3316.6
    2-methoxyethanol 733.31
    isobutyl acetate 1276.78
    tetrachloromethane 1227.25
    n-pentyl acetate 1755.9
    transcutol 1555.25
    n-heptanol 1418.56
    ethylbenzene 1275.25
    MIBK 1563.5
    2-propoxyethanol 1918.75
    tert-butanol 1385.3
    MTBE 2997.69
    2-butoxyethanol 995.93
    propionic acid 746.23
    o-xylene 1567.26
    formic acid 116.05
    diethyl ether 2860.88
    m-xylene 1800.09
    p-xylene 1627.7
    chlorobenzene 1780.74
    dimethyl carbonate 530.09
    n-octane 1296.3
    formamide 118.58
    cyclopentanone 3213.4
    2-pentanone 1742.03
    anisole 1123.57
    cyclopentyl methyl ether 4923.64
    gamma-butyrolactone 2926.44
    1-methoxy-2-propanol 769.61
    pyridine 1617.19
    3-pentanone 1790.83
    furfural 1486.6
    n-dodecane 660.33
    diethylene glycol 536.18
    diisopropyl ether 2008.07
    tert-amyl alcohol 1736.32
    acetylacetone 1377.22
    n-hexadecane 749.17
    acetophenone 948.02
    methyl propionate 1453.74
    isopentyl acetate 3594.54
    trichloroethylene 2343.12
    n-nonanol 1341.42
    cyclohexanol 2561.53
    benzyl alcohol 527.2
    2-ethylhexanol 3505.37
    isooctanol 1274.13
    dipropyl ether 4257.17
    1,2-dichlorobenzene 1391.4
    ethyl lactate 392.63
    propylene carbonate 1970.48
    n-methylformamide 478.42
    2-pentanol 1282.36
    n-pentane 2150.77
    1-propoxy-2-propanol 2113.65
    1-methoxy-2-propyl acetate 2290.94
    2-(2-methoxypropoxy) propanol 799.54
    mesitylene 1509.04
    ε-caprolactone 3189.28
    p-cymene 1781.56
    epichlorohydrin 2387.7
    1,1,1-trichloroethane 2673.26
    2-aminoethanol 205.73
    morpholine-4-carbaldehyde 1524.76
    sulfolane 2746.62
    2,2,4-trimethylpentane 1367.22
    2-methyltetrahydrofuran 5422.31
    n-hexyl acetate 2730.69
    isooctane 1137.65
    2-(2-butoxyethoxy)ethanol 927.29
    sec-butyl acetate 1287.71
    tert-butyl acetate 2304.69
    decalin 1873.33
    glycerin 171.3
    diglyme 1630.73
    acrylic acid 468.7
    isopropyl myristate 1251.98
    n-butyric acid 1304.71
    acetyl acetate 1200.29
    di(2-ethylhexyl) phthalate 606.0
    ethyl propionate 1392.42
    nitromethane 800.87
    1,2-diethoxyethane 1800.32
    benzonitrile 873.62
    trioctyl phosphate 698.18
    1-bromopropane 2426.1
    gamma-valerolactone 2691.25
    n-decanol 989.45
    triethyl phosphate 935.93
    4-methyl-2-pentanol 983.79
    propionitrile 917.57
    vinylene carbonate 1294.31
    1,1,2-trichlorotrifluoroethane 1046.24
    DMS 1232.35
    cumene 1067.49
    2-octanol 1244.6
    2-hexanone 1466.37
    octyl acetate 1386.57
    limonene 3570.67
    1,2-dimethoxyethane 1426.88
    ethyl orthosilicate 1085.6
    tributyl phosphate 858.16
    diacetone alcohol 1260.06
    N,N-dimethylaniline 988.38
    acrylonitrile 687.32
    aniline 1122.56
    1,3-propanediol 353.84
    bromobenzene 2108.01
    dibromomethane 2192.56
    1,1,2,2-tetrachloroethane 2221.59
    2-methyl-cyclohexyl acetate 2143.68
    tetrabutyl urea 1017.92
    diisobutyl methanol 1849.32
    2-phenylethanol 1188.38
    styrene 1163.32
    dioctyl adipate 1024.32
    dimethyl sulfate 640.61
    ethyl butyrate 2265.77
    methyl lactate 402.99
    butyl lactate 891.08
    diethyl carbonate 1244.31
    propanediol butyl ether 609.7
    triethyl orthoformate 1804.63
    p-tert-butyltoluene 1915.88
    methyl 4-tert-butylbenzoate 1183.44
    morpholine 2597.72
    tert-butylamine 1570.42
    n-dodecanol 766.12
    dimethoxymethane 1121.61
    ethylene carbonate 1369.22
    cyrene 619.27
    2-ethoxyethyl acetate 1334.52
    2-ethylhexyl acetate 3829.22
    1,2,4-trichlorobenzene 1408.27
    4-methylpyridine 2137.54
    dibutyl ether 2946.57
    2,6-dimethyl-4-heptanol 1849.32
    DEF 1795.36
    dimethyl isosorbide 1711.03
    tetrachloroethylene 1599.02
    eugenol 678.34
    triacetin 1190.07
    span 80 960.66
    1,4-butanediol 153.89
    1,1-dichloroethane 1931.47
    2-methyl-1-pentanol 963.09
    methyl formate 464.88
    2-methyl-1-butanol 1343.33
    n-decane 1280.33
    butyronitrile 1267.55
    3,7-dimethyl-1-octanol 1707.74
    1-chlorooctane 2181.02
    1-chlorotetradecane 810.86
    n-nonane 1489.13
    undecane 867.98
    tert-butylcyclohexane 1896.06
    cyclooctane 2621.69
    cyclopentanol 1903.58
    tetrahydropyran 4985.78
    tert-amyl methyl ether 2844.2
    2,5,8-trioxanonane 997.08
    1-hexene 3042.78
    2-isopropoxyethanol 530.99
    2,2,2-trifluoroethanol 225.32
    methyl butyrate 1538.95

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction